3-(2-ethoxyethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-ethoxyethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-ethoxyethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-ethoxyethyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-ethoxyethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-ethoxyethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H28N3O2S2+ MolecularWeight: 418.59592

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=NC2=C(C1=O)C(=CS2)C3=CC=CS3)C[NH+]4CCC(CC4)C

Isomeric SMILES

CCOCCN1C(=NC2=C(C1=O)C(=CS2)C3=CC=CS3)C[NH+]4CCC(CC4)C

InChI

InChI=1S/C21H27N3O2S2/c1-3-26-11-10-24-18(13-23-8-6-15(2)7-9-23)22-20-19(21(24)25)16(14-28-20)17-5-4-12-27-17/h4-5,12,14-15H,3,6-11,13H2,1-2H3/p+1